Search results for: crystal grain

Authors: Noureddine Benharkat, Abdelkader Chouaih, Nourdine Boukabcha

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A thiourea derivative compound was synthesized and subjected to structural analysis using single-crystal X-ray diffraction (XRD). The crystallographic data unveiled its crystallization in the P21/c space group within the monoclinic system. Examination of the dihedral angles indicated a notable non-planar structure. To support and interpret these resulats, density functional theory (DFT) calculations were conducted utilizing the B3LYP functional along with a 6–311 G (d, p) basis set. Additionally, to assess the contribution of intermolecular interactions, Hirshfeld surface analysis and 2D fingerprint plots were employed. Various types of interactions, whether weak intramolecular or intermolecular, within a molecule can significantly impact its stability. The distinctive signature of non-covalent interactions can be detected solely through electron density analysis. The NCI-RDG analysis was employed to investigate both repulsive and attractive van der Waals interactions while also calculating the energies associated with intermolecular interactions and their characteristics. Additionally, a molecular docking study was studied to explain the structure-activity relationship, revealing that the title compound exhibited an affinity energy of -6.8 kcal/mol when docked with B-DNA (1BNA).

Keywords: computational chemistry, density functional theory, crystallography, molecular docking, molecular structure, powder x-ray diffraction, single crystal x-ray diffraction

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Authors: Jong Kook Lee, Sangcheol Eum, Jaehong Kim

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Wollastonite/hydroxyapatite composite coatings on zirconia were obtained by room temperature spray process. Wollastonite powder was synthesized by solid-state reaction between calcite and silica powder. Hydroxyapatite powder was prepared from bovine bone by the calcination at 1200oC 1h. From two starting raw powders, three kinds of powder mixture were obtained by the ball milling for 24h. By using these powders, wollastonite/hydroxyapatite coatings were fabricated on zirconia substrates by a room temperature spray process, and their microstructure and biological behavior were investigated and compared with pure wollastonite and hydroxyapatite coatings. Wollastonite/hydroxyapatite coatings on zirconia substrates were homogeneously formed in microstructure and had a nanoscaled grain size. The phase composition of the resultant wollastonite/hydroxyapatite coatings was similar to that of the starting powders, however, the grain size of the wollastonite or hydroxyapatite particles was reduced to about 100 nm due to their formation by particle impaction and fracture. The wollastonite/hydroxyapatite coating layer exhibited bioactivity in a stimulated body fluid and forming ability of new hydroxyapatite precipitates of 25 nm during in vitro test in SBF solution, which was enhanced by the increasing wollastonite content.

Keywords: wollastonite, hydroxyapatite composite coatings, room temperature spay process, zirconia

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Authors: L.L. Costa, A. M. G. Brito, S. Khan, L. Schaeffer

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Microstructure resulting from the forging process is studied as a function of variables such as temperature, deformation, austenite grain size and cooling rate. The purpose of this work is to study the thermomechanical behavior of DIN 42CrMo4 (AISI 4140) steel maintained at the temperatures of 900°, 1000°, 1100° and 1200°C for the austenization times of 22, 66 and 200 minutes each and subsequently forged. These samples were quenched in water in order to study the austenite grain and to investigate the microstructure instead of quenching the annealed samples after forging they were cooled down naturally in the air. The morphologies and properties of the materials such as hardness; prepared by these two different routes have been compared. In addition to the forging experiments, the numerical simulation using the finite element model (FEM), microhardness profiles and metallography images have been presented. Forging force vs position curves has been compared with metallographic results for each annealing condition. The microstructural phenomena resulting from the hot conformation proved that longer austenization time and higher temperature decrease the forging force in the curves. The complete recrystallization phenomenon (static, dynamic and meta dynamic) was observed at the highest temperature and longest time i.e., the samples austenized for 200 minutes at 1200ºC. However, higher hardness of the quenched samples was obtained when the temperature was 900ºC for 66 minutes. The phases observed in naturally cooled samples were exclusively ferrite and perlite, but the continuous cooling diagram indicates the presence of austenite and bainite. The morphology of the phases of naturally cooled samples has shown that the phase arrangement and the previous austenitic grain size are the reasons to high hardness in obtained samples when temperature were 900ºC and 1100ºC austenization times of 22 and 66 minutes, respectively.

Keywords: austenization time, thermomechanical effects, forging process, steel AISI 4140

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Authors: Henry O. Udeha, Kwaku G. Duodub, Afam I. O. Jideanic

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Finger millet (FM) [Eleusine coracana] is considered as a potential ‘‘super grain’’ by the United States National Academies as one of the most nutritious among all the major cereals. The regular consumption of FM-based diets has been associated with reduced risk of diabetes, cataract and gastrointestinal tract disorder. Hyperglycaemic, hypocholesterolaemic and anticataractogenic, and other health improvement properties have been reported. This study examined the effect of fermentation time and microbial source on physicochemical properties, phenolic compounds and antioxidant activity of two finger millet (FM) malt flours. Sorghum was used as an external reference. The grains were malted, mashed and fermented using the grain microflora and Lactobacillus fermentum. The phenolic compounds of the resulting beverage were identified and quantified using ultra-performance liquid chromatography (UPLC) and mass spectrometer system (MS). A fermentation-time dependent decrease in pH and viscosities of the beverages, with a corresponding increase in sugar content were noted. The phenolic compounds found in the FM beverages were protocatechuic acid, catechin and epicatechin. Decrease in total phenolics of the beverages was observed with increased fermentation time. The beverages exhibited 2, 2-diphenyl-1-picrylhydrazyl, 2, 2՛-azinobis-3-ethylbenzthiazoline-6-sulfonic acid radical scavenging action and iron reducing activities, which were significantly (p < 0.05) reduced at 96 h fermentation for both microbial sources. The 24 h fermented beverages retained a higher amount of total phenolics and had higher antioxidant activity compared to other fermentation periods. The study demonstrates that FM could be utilised as a functional grain in the production of non-alcoholic beverage with important phenolic compounds for health promotion and wellness.

Keywords: antioxidant activity, eleusine coracana, fermentation, phenolic compounds

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Authors: Sebastien Relave, Christophe Desrayaud, Aurelien Vilani, Alexey Sova

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Laser beam melting (LBM) is an additive manufacturing process that enables complex 3D parts to be designed. This process is now commonly employed for various applications such as chemistry or energy, requiring the use of stainless steel grades. LBM can offer comparable and sometimes superior mechanical properties to those of wrought materials. However, we observed an anisotropic microstructure which results from the process, caused by the very high thermal gradients along the building axis. This microstructure can be harmful depending on the application. For this reason, control and prediction of the microstructure are important to ensure the improvement and reproducibility of the mechanical properties. This study is focused on the 316L SS grade and aims at understanding the solidification and transformation mechanisms during process. Experiments to analyse the nucleation and growth of the microstructure obtained by the LBM process according to several conditions. These samples have been designed on different type of support bulk and lattice. Samples are produced on ProX DMP 200 LBM device. For the two conditions the analysis of microstructures, thanks to SEM and EBSD, revealed a single phase Austenite with preferential crystallite growth along the (100) plane. The microstructure was presented a hierarchical structure consisting columnar grains sizes in the range of 20-100 µm and sub grains structure of size 0.5 μm. These sub-grains were found in different shapes (columnar and cellular). This difference can be explained by a variation of the thermal gradient and cooling rate or element segregation while no sign of element segregation was found at the sub-grain boundaries. A high dislocation concentration was observed at sub-grain boundaries. These sub-grains are separated by very low misorientation walls ( < 2°) this causes a lattice of curvature inside large grain. A discussion is proposed on the occurrence of these microstructures formation, in regard of the LBM process conditions.

Keywords: selective laser melting, stainless steel, microstructure

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Authors: Gashin Shahsavari, Gilles Arnaud-Fassetta, Alberto Campisano, Roberto Bertilotti, Fabien Riou

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Sewer deposits have been identified as a major cause of dysfunctions in combined sewer systems regarding sewer management, which induces different negative consequents resulting in poor hydraulic conveyance, environmental damages as well as worker’s health. In order to overcome the problematics of sedimentation, flushing has been considered as the most operative and cost-effective way to minimize the sediments impacts and prevent such challenges. Flushing, by prompting turbulent wave effects, can modify the bed form depending on the hydraulic properties and geometrical characteristics of the conduit. So far, the dynamics of the bed-load during high-flow events in combined sewer systems as a complex environment is not well understood, mostly due to lack of measuring devices capable to work in the “hostile” in combined sewer system correctly. In this regards, a one-episode flushing issue from an opening gate valve with weir function was carried out in a trunk sewer in Paris to understanding its cleansing efficiency on the sediments (thickness: 0-30 cm). During more than 1h of flushing within 5 m distance in downstream of this flushing device, a maximum flowrate and a maximum level of water have been recorded at 5 m in downstream of the gate as 4.1 m3/s and 2.1 m respectively. This paper is aimed to evaluate the efficiency of this type of gate for around 1.1 km (from the point -50 m to +1050 m in downstream from the gate) by (i) determining bed grain-size distribution and sediments evolution through the sewer channel, as well as their organic matter content, and (ii) identifying sections that exhibit more changes in their texture after the flush. For the first one, two series of sampling were taken from the sewer length and then analyzed in laboratory, one before flushing and second after, at same points among the sewer channel. Hence, a non-intrusive sampling instrument has undertaken to extract the sediments smaller than the fine gravels. The comparison between sediments texture after the flush operation and the initial state, revealed the most modified zones by the flush effect, regarding the sewer invert slope and hydraulic parameters in the zone up to 400 m from the gate. At this distance, despite the increase of sediment grain-size rages, D50 (median grain-size) varies between 0.6 mm and 1.1 mm compared to 0.8 mm and 10 mm before and after flushing, respectively. Overall, regarding the sewer channel invert slope, results indicate that grains smaller than sands (< 2 mm) are more transported to downstream along about 400 m from the gate: in average 69% before against 38% after the flush with more dispersion of grain-sizes distributions. Furthermore, high effect of the channel bed irregularities on the bed material evolution has been observed after the flush.

Keywords: bed-load evolution, combined sewer systems, flushing efficiency, sediments transport

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Authors: Wenjun Zhang, Thao Thi Le, Dongyup Shin, Jong Min Kim

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Electrochemical hydrogen peroxide (H₂O₂) synthesis holds significant promise for decentralized environmental remediation through the electro-Fenton process. However, challenges persist, such as the absence of robust electrocatalysts for the selective two-electron oxygen reduction reaction (2e⁻ ORR) and the high cost and sluggish kinetics of conventional electro-Fenton systems in treating highly concentrated wastewater. This study introduces an efficient water treatment system for removing substantial quantities of organic pollutants using an advanced electro-Fenton system coupled with a high-valent NiO catalyst. By employing a precipitation method involving crystal facet and cation vacancy engineering, a trivalent Ni (Ni³⁺)-rich NiO catalyst with a (111)-domain-exposed crystal facet, named {111}-NivO, was synthesized. This catalyst exhibited a remarkable 96% selectivity and a high mass activity of 59 A g⁻¹ for H₂O₂ production, outperforming all previously reported Ni-based catalysts. Furthermore, an advanced electro-Fenton system, integrated with a flow cell for electrochemical H₂O₂ production, was utilized to achieve 100% removal of 50 ppm bisphenol A (BPA) in 200 mL of wastewater under heavy-duty conditions, reaching a superior rapid degradation rate (4 min, k = 1.125 min⁻¹), approximately 102 times faster than the conventional electro-Fenton system. The hyper-efficiency is attributed to the continuous and appropriate supply of H₂O₂, the provision of O₂, and the timely recycling of the electrolyte under high current density operation. This catalyst also demonstrated a 93% removal of total organic carbon after 2 hours of operation and can be applied for efficient removal of highly concentrated phenol pollutants from aqueous systems, which opens new avenues for wastewater treatment.

Keywords: hydrogen peroxide production, nickel oxides, crystal facet and cation vacancy engineering, wastewater treatment, flow cell, electro-Fenton

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Authors: S. B. Kalaghatagi, A. K. Guggari, Pallavi S. Manikashetti

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A field experiment to study the effect of band application of organic manures on growth and yield of pigeon pea was conducted during 2016-17 at Kharif Seed Farm, College of Agriculture, Vijayapura. The experiment was carried out in randomized block design with thirteen treatments viz., T1 to T6 were band application of vermicompost at 0.5, 1.0, 1.5, 2.0, 2.5, 3.0 t ha⁻¹, respectively. The treatments T7 to T12 include band application of sieved FYM at 1, 2, 3, 4, 5 and 6 t ha⁻¹, respectively and were compared with already recommended practice of broadcasting of FYM at 6 t ha⁻¹ (T13); and recommended dose of fertilizer (25:50:0 NPK kg ha⁻¹) was applied commonly to all the treatments. The results revealed that band application of vermicompost (VC) at 3 t ha⁻¹ recorded significantly higher number of pods plant⁻¹ (116), grain weight plant⁻¹ (37.35 g), grain yield (1,647 kg ha⁻¹), stalk yield (2,920 kg ha⁻¹) and harvest index (0.36) and was on par with the band application of VC at 2.0 and 2.5 t ha⁻¹ and sieved FYM at 4.0 and 5.0 t ha⁻¹ as compared to broadcasting of FYM at 6 t ha-1 (99.33, 24.07 g, 1,061 kg ha⁻¹, 2,920 kg ha⁻¹ and 0.36, respectively). Significantly higher net return (Rupees 59,410 ha⁻¹) and benefit cost ratio of 2.92 recorded with band application of VC at 3 t ha⁻¹ over broadcasting of FYM at 6 tonnes per ha (Rupees 25,401 ha⁻¹ and 1.78, respectively). It indicates from the above results that, growing of pigeon pea with band application of VC at 2, 2.5 and 3 t ha⁻¹ and sieved FYM at 4 and 5 t ha⁻¹ leads to saving of 1 tonne of VC and 2 tonnes of FYM per ha.

Keywords: organic manures, rainfed pigeonpea, sieved FYM, vermicompost

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Authors: M. A. Rashed, A. S. Mansour, H. Faris, W. Afify

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The calcarenites carbonate rocks of the Quaternary ridges, which extend along the northwestern Mediterranean coastal plain of Egypt, represent an excellent model for the transformation of loose sediments to real sedimentary rocks by the different stages of meteoric diagenesis. The depositional and diagenetic fabrics of the rocks, in addition to the strata orientation, highly affect their ultimate compressive strength and other geotechnical properties. There is a marked increase in the compressive strength (UCS) from the first to the fourth ridge rock samples. The lowest values are related to the loose packing, weakly cemented aragonitic ooid sediments with high porosity, besides the irregularly distributed of cement, which result in decreasing the ability of these rocks to withstand crushing under direct pressure. The high (UCS) values are attributed to the low porosity, the presence of micritic cement, the reduction in grain size and the occurrence of micritization and calcretization processes. The strata orientation has a notable effect on the measured (UCS). The lowest values have been recorded for the samples cored in the inclined direction; whereas the highest values have been noticed in most samples cored in the vertical and parallel directions to bedding plane. In case of the inclined direction, the bedding planes were oriented close to the plane of maximum shear stress. The lowest and highest anisotropy values have been recorded for the first and the third ridges rock samples, respectively, which may attributed to the relatively homogeneity and well sorted grain-stone of the first ridge rock samples, and relatively heterogeneity in grain and pore size distribution and degree of cementation of the third ridge rock samples, besides, the abundance of shell fragments with intra-particle pore spaces, which may produce lines of weakness within the rock.

Keywords: compressive strength, anisotropy, calcarenites, Egypt

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Authors: Rakesh Hajiyani, Chetan Chauhan, Harshkant Jethva, Mihir Joshi

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Metal bis-thiourea type organo-metallic crystals are popular as non-linear optical materials. Bis-thiourea nickel barium chloride was synthesized and crystals were grown by slow aqueous solvent evaporation technique. The transparent and colorless crystals having maximum dimensions of 13 mm x 8 mm x 2.2 mm were obtained. The EDAX was carried out to estimate the content of nickel and barium in the grown crystals. The powder XRD analysis suggested orthorhombic crystal structure with unit cell parameters as: a= 9.70 Å, b= 10.68 Å and c= 17.95 Å. The FTIR spectroscopy study confirmed the presence of various functional groups. The UV-vis spectroscopy study indicated that the crystals were transparent in the visible region with 90% transmittance level further optical parameters were studied. From the TGA it was found that the crystals remained stable up to 170 0C and then decomposed through two decomposition stages. The dielectric study was carried out in the frequency range of applied field from 500 Hz to 1 MHz. The variations of dielectric constant, dielectric loss were studied with frequency. It was found that the dielectric constant and the dielectric loss decreased as the frequency of applied field increased. The results are discussed.

Keywords: crystal growth, dielectric study, optical parameters, organo-metallic crystals, powder xrd, slow evaporation technique, TGA

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Authors: Darshan Panda, Lambodar Behera, M. J. Baig, Sudhanshu Sekhar

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Low light intensity is a significant limitation for grain yield and quality in rice. However, yield is not significantly reduced in low-light tolerant rice varieties. The work, therefore, planned for comparative transcriptome profiling under low light stress to decipher the genes involved and molecular mechanism of low light tolerance in rice. At the active tillering stage, 50% low light exposure for one day, three days, and five days were given to Swarnaprabha (low light tolerant) and IR8 (low light sensitive) rice varieties. Illumina (HiSeq) platform was used for transcriptome sequencing. A total of 6,652 and 12,042 genes were differentially expressed due to low light intensity in Swarnaprabha and IR8, respectively, as compared to control. CAB, LRP, SBPase, MT15, TF PCL1, and Photosystem I & II complex related gene expressions were mostly increased in Swarnaprabha upon the longer duration of low light exposure, which was not found in IR8 as compared to control. Their expressions were validated by qRT-PCR. The overall study suggested that the maintenance of grain yield in the tolerant variety under low light might be the result of accelerated expression of the genes, which enable the plant to keep the photosynthetic processes moving at the same pace even under low light.

Keywords: rice, low light, photosynthesis, yield

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Authors: Mohammad Taghi Karbalaei Aghamolki, Mohd Khanif Yusop, Fateh Chand Oad, Hamed Zakikhani, Hawa Zee Jaafar, Sharifh Kharidah, Mohamed Hanafi Musa, Shahram Soltani

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The high temperatures during sensitive growth phases are changing rice morphology as well as influencing yield. In the glass house study, the treatments were: growing conditions [normal growing (32oC+2) and heat stress (38oC+2) day time and 22oC+2 night time], growth stages (booting, flowering and ripening) and four cultivars (Hovaze, Hashemi, Fajr, as exotic and MR219 as indigenous). The heat chamber was prepared covered with plastic, and automatic heater was adjusted at 38oC+2 (day) and 22oC+2 (night) for two weeks in every growth stages. Rice morphological and yield under the influence of heat stress during various growth stages showed taller plants in Hashsemi due to its tall character. The total tillers per hill were significantly higher in Fajr receiving heat stress during booting stage. In all growing conditions and growth stages, Hashemi recorded higher panicle exertion and flag leaf length. The flag leaf width in all situations was found higher in Hovaze. The total tillers per hill were more in Fajr, although heat stress was imposed during booting and flowering stages. The indigenous MR219 in all situations of growing conditions, growth stages recorded higher grain yield. However, its grain yield slightly decreased when heat stress was imposed during booting and flowering. Similar results were found in all other exotic cultivars recording to lower grain yield in the heat stress condition during booting and flowering. However, plants had no effect on heat stress during ripening stage.

Keywords: rice, growth, heat, temperature, stress, morphology, yield

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Authors: Oktira Roka Aji, Maelita R. Moeis, Ihsanawati, Ernawati A. Giri-Rachman

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Globally, tuberculosis (TB) remains a leading cause of death. The emergence of multidrug-resistant strains and extensively drug-resistant strains have become a major public concern. One of the potential candidates for drug target is the cytoplasmic domain of PhoR Histidine Kinase, a part of the Two Component System (TCS) PhoR-PhoP in Mycobacterium tuberculosis (Mtb). TCS PhoR-PhoP relay extracellular signal to control the expression of 114 virulent associated genes in Mtb. The 3D structure of PhoR cytoplasmic domain is needed to screen novel drugs using structure based drug discovery. The PhoR cytoplasmic domain from Mtb H37Rv was overexpressed in E. coli BL21(DE3), then purified using IMAC Ni-NTA Agarose his-tag affinity column and DEAE-ion exchange column chromatography. The molecular weight of the purified protein was estimated to be 37 kDa after SDS-PAGE analysis. This sample was used for pre-crystallization screening by applying sitting drop vapor diffusion method using Natrix (HR2-116) 48 solutions crystal screen kit at 25ºC. Needle-like crystals were observed after the seventh day of incubation in test solution No.47 (0.1 M KCl, 0.01 M MgCl2.6H2O, 0.05 M Tris-Cl pH 8.5, 30% v/v PEG 4000). Further testing is required for confirming the crystal.

Keywords: tuberculosis, two component system, histidine kinase, needle-like crystals

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Authors: Navajyoti Panda, R. S. Pawar

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In this study, process parameters like punch angle, die opening, grain direction, and pre-bend condition of the strip for deep draw of high strength low alloy steel HSLA 420 are investigated. The finite element method (FEM) in association with the Taguchi and the analysis of variance (ANOVA) techniques are carried out to investigate the degree of importance of process parameters in V-bending process for HSLA 420&ST12 grade material. From results, it is observed that punch angle had a major influence on the spring-back. Die opening also showed very significant role on spring back. On the other hand, it is revealed that grain direction had the least impact on spring back; however, if strip from flat sheet is taken, then it is less prone to spring back as compared to the strip from sheet metal coil. HyperForm software is used for FEM simulation and experiments are designed using Taguchi method. Percentage contribution of the parameters is obtained through the ANOVA techniques.

Keywords: bending, spring-back, v-bending, FEM, Taguchi, HSLA 420 and St12 materials, HyperForm, profile projector

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Authors: Seon Ho Kim, Minho Bang, Seok Min Choi, Young Moon Lee, Dong Kwan Kim, Hyung Hee Cho

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Gas turbines are heat engines that convert chemical energy into electrical energy through mechanical energy. Since their high energy density per unit volume and low pollutant emissions, gas turbines are classified as clean energy. In order to obtain better performance, the turbine inlet temperature of the current gas turbine is operated at about 1600℃, and thermal damage is a very serious problem. Especially, these thermal damages are more prominent in off-design conditions than in design conditions. In this study, the thermal damage characteristics of high temperature components of a gas turbine made of a single crystal material are studied numerically for the off-design operating conditions. The target gas turbine is configured as a reheat cycle and is operated in peak load operation mode, not normal operation. In particular, the target gas turbine features a lot of low-load operation. In this study, a commercial code, ANSYS 18.2, was used for analyzing the thermal-flow coupling problems. As a result, the flow separation phenomenon on the pressure side due to the flow reduction was remarkable at the off-design condition, and the high heat transfer coefficient at the upper end of the suction surface due to the tip leakage flow was appeared.

Keywords: gas turbine, single crystal blade, off-design, thermal analysis

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Authors: Christina Roman, Deepak Koirala, Joseph A. Piccirilli

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Phage displaying synthetic Fab libraries have been used to obtain Fabs that bind to specific RNA targets with high affinity and specificity. These Fabs have been demonstrated to facilitate RNA crystallization. However, the antibody framework used in the construction of these phage display libraries contains numerous bulky, flexible, and charged residues, which facilitate solubility and hinder aggregation. These residues can interfere with crystallization due to the entropic cost associated with burying them within crystal contacts. To systematically reduce the surface entropy of the Fabs and improve their crystallization properties, a protein engineering strategy termed surface entropy reduction (SER) is being applied to the Fab framework. In this approach, high entropy residues are mutated to smaller ones such as alanine or serine. Focusing initially on Fab BL3-6, which binds an RNA AAACA pentaloop with 20nM affinity, the SER P server (http://services.mbi.ucla.edu/SER/) was used and analysis was performed on existing RNA-Fab BL3-6 co-crystal structures. From this analysis twelve surface entropy reduced mutants were designed. These SER mutants were expressed and are now being measured for their crystallization and diffraction performance with various RNA targets. So far, one mutant has generated 3.02 angstrom diffraction with the yjdF riboswitch RNA. Ultimately, the most productive mutations will be combined into a new Fab framework to be used in a optimized phage displayed Fab library.

Keywords: antibody fragment, crystallography, RNA, surface entropy reduction

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Authors: Heriansyah Putra, Erizal Erizal, Sutoyo Sutoyo, Hideaki Yasuhara

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This paper discusses the possibility of organic waste material, i.e., soybean, as the bio-catalyst agent on the calcite precipitation method. Several combinations of soybean powder and jack bean extract are used as the bio-catalyst and mixed with the reagent composed of calcium chloride and urea. Its productivity in promoting calcite crystal is evaluated through a transparent test-tube experiment. The morphological and mineralogical aspects of precipitated calcite are also investigated using scanning electromagnetic (SEM) and X-ray diffraction (XRD), respectively. The applicability of this material to improve the engineering properties of soil are examined using the direct shear and unconfined compressive test. The result of this study shows that the utilization of soybean powder brings about a significant effect on soil strength. In addition, the use of soybean powder as a substitution material of urease enzyme also increases the efficacy of calcite crystal as the binder materials. The low calcite content promotes the high strength of the soil. The strength of 300 kPa is obtained in the presence of 2% of calcite content within the soil. The result of this study elucidated that substitution of soybean to jack bean extract is the potential and valuable alternative to improve the applicability of calcite precipitation method as soil improvement technique.

Keywords: calcite precipitation, jack bean, soil improvement, soybean

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Authors: Belayneh Matebie, Michael Melese

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The study focuses on addressing the challenges in classifying and ensuring the quality of Eragrostis Teff, a small and round grain that is the smallest cereal grain. Employing a traditional classification method is challenging because of its small size and the similarity of its environmental characteristics. To overcome this, this study employs a machine learning approach to develop a source and quality classification system for Teff cereal. Data is collected from various production areas in the Amhara regions, considering two types of cereal (high and low quality) across eight classes. A total of 5,920 images are collected, with 740 images for each class. Image enhancement techniques, including scaling, data augmentation, histogram equalization, and noise removal, are applied to preprocess the data. Convolutional Neural Network (CNN) is then used to extract relevant features and reduce dimensionality. The dataset is split into 80% for training and 20% for testing. Different classifiers, including FVGG16, FINCV3, QSCTC, EMQSCTC, SVM, and RF, are employed for classification, achieving accuracy rates ranging from 86.91% to 97.72%. The ensemble of FVGG16, FINCV3, and QSCTC using the Max-Voting approach outperforms individual algorithms.

Keywords: Teff, ensemble learning, max-voting, CNN, SVM, RF

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Authors: Mehdi Montakhabrazlighi, Ercan Balikci

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The neural network (NN) method is applied to alloy development of single crystal Ni-base Superalloys with low density and improved mechanical strength. A set of 1200 dataset which includes chemical composition of the alloys, applied stress and temperature as inputs and density and time to rupture as outputs is used for training and testing the network. Thermodynamic phase diagram modeling of the screened alloys is performed with Thermocalc software to model the equilibrium phases and also microsegregation in solidification processing. The model is first trained by 80% of the data and the 20% rest is used to test it. Comparing the predicted values and the experimental ones showed that a well-trained network is capable of accurately predicting the density and time to rupture strength of the Ni-base superalloys. Modeling results is used to determine the effect of alloying elements, stress, temperature and gamma-prime phase volume fraction on rupture strength of the Ni-base superalloys. This approach is in line with the materials genome initiative and integrated computed materials engineering approaches promoted recently with the aim of reducing the cost and time for development of new alloys for critical aerospace components. This work has been funded by TUBITAK under grant number 112M783.

Keywords: neural network, rupture strength, superalloy, thermocalc

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Authors: Y. Saylan, F. Yılmaz, A. Denizli

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Rheumatoid arthritis (RA) which is the most common autoimmune disorder of the body's own immune system attacking healthy cells. RA has both articular and systemic effects.Until now romatiod factor (RF) assay is used the most commonly diagnosed RA but it is not specific. Anti-cyclic citrullinated peptide (anti-CCP) antibodies are IgG autoantibodies which recognize citrullinated peptides and offer improved specificity in early diagnosis of RA compared to RF. Anti-CCP antibodies have specificity for the diagnosis of RA from 91 to 98% and the sensitivity rate of 41-68%. Molecularly imprinted polymers (MIP) are materials that are easy to prepare, less expensive, stable have a talent for molecular recognition and also can be manufactured in large quantities with good reproducibility. Molecular recognition-based adsorption techniques have received much attention in several fields because of their high selectivity for target molecules. Quartz crystal microbalance (QCM) is an effective, simple, inexpensive approach mass changes that can be converted into an electrical signal. The applications for specific determination of chemical substances or biomolecules, crystal electrodes, cover by the thin films for bind or adsorption of molecules. In this study, we have focused our attention on combining of molecular imprinting into nanofilms and QCM nanosensor approaches and producing QCM nanosensor for anti-CCP, chosen as a model protein, using anti-CCP imprinted nanofilms. For this aim, anti-CCP imprinted QCM nanosensor was characterized by Fourier transform infrared spectroscopy, atomic force microscopy, contact angle measurements and ellipsometry. The non-imprinted nanosensor was also prepared to evaluate the selectivity of the imprinted nanosensor. Anti-CCP imprinted QCM nanosensor was tested for real-time detection of anti-CCP from aqueous solution. The kinetic and affinity studies were determined by using anti-CCP solutions with different concentrations. The responses related with mass shifts (Δm) and frequency shifts (Δf) were used to evaluate adsorption properties and to calculate binding (Ka) and dissociation (Kd) constants. To show the selectivity of the anti-CCP imprinted QCM nanosensor, competitive adsorption of anti-CCP and IgM was investigated.The results indicate that anti-CCP imprinted QCM nanosensor has a higher adsorption capabilities for anti-CCP than for IgM, due to selective cavities in the polymer structure.

Keywords: anti-CCP, molecular imprinting, nanosensor, rheumatoid arthritis, QCM

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Authors: Katharigatta N. Venugopala, Melendhran Pillay, Bander E. Al-Dhubiab

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Tuberculosis (TB) infection is caused mainly by Mycobacterium tuberculosis (MTB) and it is one of the most threatening and wide spread infectious diseases in the world. Benzothiazole derivatives are found to have diverse chemical reactivity and broad spectrum of pharmacological activity. Some of the important pharmacological activities shown by the benzothiazole analogues are antitumor, anti-inflammatory, antimicrobial, anti-tubercular, anti-leishmanial, anticonvulsant and anti-HIV properties. Keeping all these facts in mind in the present investigation it was envisaged to synthesize a series of novel {2-(benzo[d]-thiazol-2-yl-methoxy)-substitutedaryl}-(substitutedaryl)-methanones (4a-f) and characterize by IR, NMR (1H and 13C), HRMS and single crystal x-ray studies. The title compounds are investigated for in vitro anti-tubercular activity against two TB strains such as H37Rv (ATCC 25177) and MDR-MTB (multi drug resistant MTB resistant to Isoniazid, Rifampicin and Ethambutol) by agar diffusion method. Among the synthesized compounds in the series, test compound {2-(benzo[d]thiazol-2-yl-methoxy)-5-fluorophenyl}-(4-chlorophenyl)-methanone (2c) was found to exhibit significant activity with MICs of 1 µg/mL and 2 µg/mL against H37Rv and MDR-MTB, respectively when compared to standard drugs. Single crystal x-ray studies was used to study intra and intermolecular interactions, including polymorphism behavior of the test compounds, but none of the compounds exhibited polymorphism behavior.

Keywords: benzothiazole analogues, characterization, crystallography, anti-TB activity

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Authors: Supriya Majumder, Pabitra Banik

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Fates of Arsenic (As) on the soil-plant environment belong to the critical emerging issue, which in turn to appraises the threatening implications of a human health risk — assessing the dynamics of As in soil solid components are likely to impose its potential availability towards plant uptake. In the present context, we introduced an improved Sequential Extraction Procedure (SEP) questioning to identify solid-phase speciation of As in paddy soil under variable soil environmental conditions during two consecutive seasons of rice cultivation practices. We coupled gradients of water management practices with the addition of fertilizer amendments to assess the changes in a partition of As through a field experimental study during monsoon and post-monsoon season using two rice cultivars. Water management regimes were varied based on the methods of cultivation of rice by Conventional (waterlogged) vis-a-vis System of Rice Intensification-SRI (saturated). Fertilizer amendment through the nutrient treatment of absolute control, NPK-RD, NPK-RD + Calcium silicate, NPK-RD + Ferrous sulfate, Farmyard manure (FYM), FYM + Calcium silicate, FYM + Ferrous sulfate, Vermicompost (VC), VC + Calcium silicate, VC + Ferrous sulfate were selected to construct the study. After harvest, soil samples were sequentially extracted to estimate partition of As among the different fractions such as: exchangeable (F1), specifically sorbed (F2), As bound to amorphous Fe oxides (F3), crystalline Fe oxides (F4), organic matter (F5) and residual phase (F6). Results showed that the major proportions of As were found in F3, F4 and F6, whereas F1 exhibited the lowest proportion of total soil As. Among the nutrient treatment mediated changes on As fractions, the application of organic manure and ferrous sulfate were significantly found to restrict the release of As from exchangeable phase. Meanwhile, conventional practice produced much higher release of As from F1 as compared to SRI, which may substantially increase the environmental risk. In contrast, SRI practice was found to retain a significantly higher proportion of As in F2, F3, and F4 phase resulting restricted mobilization of As. This was critically reflected towards rice grain As bioavailability where the reduction in grain As concentration of 33% and 55% in SRI concerning conventional treatment (p <0.05) during monsoon and post-monsoon season respectively. Also, prediction assay for rice grain As bioavailability based on the linear regression model was performed. Results demonstrated that rice grain As concentration was positively correlated with As concentration in F1 and negatively correlated with F2, F3, and F4 with a satisfactory level of variation being explained (p <0.001). Finally, we conclude that F1, F2, F3 and F4 are the major soil. As fractions critically may govern the potential availability of As in soil and suggest that rice cultivation with the SRI treatment is particularly at less risk of As availability in soil. Such exhaustive information may be useful for adopting certain management practices for rice grown in contaminated soil concerning to the environmental issues in particular.

Keywords: arsenic, fractionation, paddy soil, potential availability

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Authors: Ghulam Abbas, Ikramul Haq, Ghulam Ghouse

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Bread wheat Triticum aestivum L. (Poaceae) is the major source of the staple food for a number of countries of the world including Pakistan. Since it is the staple food of the country, it has been desired, and efforts have been made, that it does not undergo application of pesticides to ensure the food safety. Luckily, wheat does not face a serious threat of insect pests, in ecological conditions of Pakistan, except aphids and armyworm which infest the wheat prior to maturity. It has been observed that almost 5 species of aphid have been reported to attack wheat ie. Ropalosiphum maidi, R. Padi, Schizaphis graminum, Diuraphis noxia, and Sitibion miscanthi but due to natural rise in temperature in terminal season of wheat, the population of aphid gradually decreases and wheat has a safe escape from its infestation. In case, mild temperatures 15ºC to 30ºC prolong, the infestation of aphids also prolongs and it can severely damage wheat in patches, and it has potential to substantially reduce the yield of wheat in infested patch. In years 2013, 2014, and 2015 the studies were undertaken to determine the potential of damage caused by aphid complex in 10 fields in infested patches. The damage caused by aphid complex was calculated on the basis of 1000 grain weight of wheat grains taken from the infested patch and were compared with 1000 grain weight of the healthy plants of the same fields. It was observed that there was 26 to 42% decrease in the weight of grain in infested patches. This patch also escaped from general harvesting by combine harvester and enhanced the loss 13 to 46%. The quality of the wheat straw was also reduced and its acceptance to the animals was also affected up to 50 to 100%. Moreover, the population of naturally existing beneficial fauna was recorded and factors promoting establishment and manipulation of beneficial fauna were studied and analysed.

Keywords: Triticum aestivum, wheat, Pakistan, beneficial fauna, aphid complex

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Authors: N. Renuka, R. Ramesh Babu, N. Vijayan

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Ion beams play a significant role in the process of tuning the properties of materials. Based on the radiation behavior, the engineering materials are categorized into two different types. The first one comprises organic solids which are sensitive to the energy deposited in their electronic system and the second one comprises metals which are insensitive to the energy deposited in their electronic system. However, exposure to swift heavy ions alters this general behavior. Depending on the mass, kinetic energy and nuclear charge, an ion can produce modifications within a thin surface layer or it can penetrate deeply to produce long and narrow distorted area along its path. When a high energetic ion beam impinges on a material, it causes two different types of changes in the material due to the columbic interaction between the target atom and the energetic ion beam: (i) inelastic collisions of the energetic ion with the atomic electrons of the material; and (ii) elastic scattering from the nuclei of the atoms of the material, which is extremely responsible for relocating the atoms of matter from their lattice position. The exposure of the heavy ions renders the material return to equilibrium state during which the material undergoes surface and bulk modifications which depends on the mass of the projectile ion, physical properties of the target material, its energy, and beam dimension. It is well established that electronic stopping power plays a major role in the defect creation mechanism provided it exceeds a threshold which strongly depends on the nature of the target material. There are reports available on heavy ion irradiation especially on crystalline materials to tune their physical and chemical properties. L-Arginine Acetate [LAA] is a potential semi-organic nonlinear optical crystal and its optical, mechanical and thermal properties have already been reported The main objective of the present work is to enhance or tune the structural and optical properties of LAA single crystals by heavy ion irradiation. In the present study, a potential nonlinear optical single crystal, L-arginine acetate (LAA) was grown by slow evaporation solution growth technique. The grown LAA single crystal was irradiated with oxygen ions at the dose rate of 600 krad and 1M rad in order to tune the structural and optical properties. The structural properties of pristine and oxygen ions irradiated LAA single crystals were studied using Powder X- ray diffraction and Fourier Transform Infrared spectral studies which reveal the structural changes that are generated due to irradiation. Optical behavior of pristine and oxygen ions irradiated crystals is studied by UV-Vis-NIR and photoluminescence analyses. From this investigation we can concluded that oxygen ions irradiation modifies the structural and optical properties of LAA single crystals.

Keywords: heavy ion irradiation, NLO single crystal, photoluminescence, X-ray diffractometer

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Authors: Oluseun S. Oyelakin, Olalekan W. Olaniyi

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A field experiment was conducted at Ido town in Ido Local Government Area of Oyo state, Nigeria to determine the effects of intercropping maize (Zea mays L.) with Jack bean (Canavalia ensiformis L.) at different spacing and weeding regimes on crops productivity. The treatments were 2 x 2 x 3 factorial arrangement involving two spatial crop arrangements. Spacing of 75 cm x 50 cm and 90 cm x 42 cm (41.667 cm) with two plants per stand resulted in plant population of approximately 53,000 plants/hectare. Also, Randomized Complete Block Design (RCBD) with two cropping patterns (sole and intercrop), three weeding regimes (weedy check, weeds once, and weed twice) with three replicates was used. Data were analyzed with SAS (Statistical Analysis System) and statistical means separated using Least Significant Difference (LSD) (P ≤ 0.05). Intercropping and crop spacing did not have significant influence on the growth parameters and yield parameters. The maize grain yield of 1.11 t/ha obtained under sole maize was comparable to 1.05 t/ha from maize/jack beans. Weeding regime significantly influenced growth and yields of maize in intercropping with Jack beans. Weeding twice resulted in significantly higher growth than that of the other weeding regimes. Plant height at 6 Weeks After Sowing (WAS) under weeding twice regime (3 and 6 WAS) was 83.9 cm which was significantly different from 67.75 cm and 53.47 cm for weeding once (3 WAS) and no weeding regimes respectively. Moreover, maize grain yield of 1.3 t/ha obtained from plots weeded twice was comparable to that of 1.23 t/ha from single weeding and both were significantly higher than 0.71 t/ha maize grain yield obtained from the no weeding control. The dry matter production of Jack beans reduced at some growth stages due to intercropping of maize with Jack beans though with no significance effect on the other growth parameters of the crop. There was no effect on the growth parameters of Jack beans in maize/jack beans intercrop based on cropping spacing while comparable growth and dry matter production in Jack beans were produced in maize/Jack beans mixture with single weeding.

Keywords: crop spacing, intercropping, growth parameter, weeding regime, sole cropping, WAS, week after sowing

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Authors: Nneka N. Uchegbu

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Physical, sensory properties and hypoglycemic effect of crackers produced from sprouted pigeon pea, unripe plantain and brewers’ spent grain fed to diabetic rats were investigated. Different composite flours were used to produce crackers. Physical and sensory properties of the crackers, the blood serum of the rats and changes in the rat body weight were measured. Spread ratio and break strength of the crackers from different flour blends ranges from 7.01 g to 8.51 g and 1.87 g to 3.01 g respectively. The acceptability of the crackers revealed that Sample A (100% wheat crackers) was not significantly (p>0.05) different from Samples C and D. Feeding the rats with formulated crackers caused an increase in the body weight of the rats but a reduced body weight was observed in diabetic rats fed with normal rat feed. The result indicated that cracker produced from the formulated flour blends caused a significant hypoglycemic effect in diabetic rats and led to a reduction of measured biochemical indices. Therefore, this work showed that consumption of crackers from the above formulated flour blend was able to decrease hyperglycemia in diabetic rats.

Keywords: hypoglyceamia, hyperlipidimia, total lipid, triglyceride, total cholesterol

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Authors: Muhammad Waheed Mushtaq, Shahid bashir, Atta Ur Rehman

Abstract:

In the past decade, the growing demand for capital and the increased utilization of supercapacitors reflect advancements in energy-producing systems and energy storage devices. Metal oxides and ferrites have emerged as promising candidates for supercapacitors and batteries. In our current study, we synthesized Lithium manganese nanoferrite, denoted as LixMnxFe₂O₄, using the hydrothermal technique. Subsequently, we treated it with sodium dodecyl benzene sulphonate (SDBS) surfactant to create nanocomposites of Lithium manganese nano ferrite (LMFe) with poly pyrrole (LixMnxFe₂O₄-PPY). We employed Powder X-ray diffraction (XRD) to confirm the crystalline nature and spinel phase structure of LMFe nanoparticles, which exhibited a single-phase crystal structure, indicating sample purity. To assess the surface topography, morphology, and grain size of both synthesized LixMnxFe₂O₄ and LixMnxFe₂O₄-PPY, we used atomic force microscopy and scanning electron microscopy (SEM). The average particle size of pure ferrite was found to be 54 nm, while that of its nanocomposite was 71 nm. Energy dispersive X-ray (EDX) analysis confirmed the presence of all required elements, including Li, Mn, Fe, and O, in the appropriate proportions. Saturation magnetization (32.69 emu), remanence (Mr), and coercive force (Hc) were measured using a Vibrating Sample Magnetometer (VSM). To assess the electrochemical performance of the material, we conducted Cyclic Voltammetry (CV) measurements for both pure LMFe and LMFe-PPY. The CV results for LMFe-PPY demonstrated that specific capacitance decreased with increasing scan rate while the area of the current-voltage loop increased. These findings are promising for the development of supercapacitors and lithium-ion batteries (LIBs).

Keywords: lithium manganese ferrite, poly pyrrole, nanocomposites, cyclic voltammetry, cathode

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Authors: J. M. Alzate, J. Baena

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This work presents the final results of the ‘Diagnosis of the hydrological and hydrogeological potential in the Mancomojan basin for estimations of offer and demand’ with the purpose of obtaining solutions of domestic supply for the communities of the zone of study. There was realized the projection of population of the paths by three different scenes. The highest water total demand appears with the considerations of the scene 3, with a total demand for the year 2050 of 59.275 m3/year (1,88 l/s), being the path San Francisco the one that exercises a major pressure on the resource with a demand for the same year of the order of 31.189 m3/year (0,99 l/s). As for the hydrogeological potential of the zone and as alternative of supply of the studied communities, the stratigraphic columns obtained of the geophysical polls do not show strata saturated with water that could be considered to be a potential source of supply for the communities. The water registered in the geophysics tests presents very low resistances what indicates that he presents ions, this water meets in the rock interstices very thin granulometries which indicates that it is a water of constitution, and the flow of this one towards more permeable granulometries is void or limited. The underground resource that is registered so much in electrical vertical polls (SEV) as in tomography and that is saturating rocks of thin granulometry (clays and slimes), was demonstrated by content of ions, which is consistent with the abundant presence of plaster and the genesis marinades with transition to continental of the geological units in the zone. Predominant rocks are sedimentary, sandy rocks of grain I die principally, in minor proportion were observed also sandstones of thick grain to conglomerate with clastic rock of quartz, chert and siltstone of the Formation Mess and sandstones (of thin, average and thick grain) alternating with caps conglomerate whose thickness is, in general, between 5 and 15 cm, the nodules of sandstones are frequent with the same composition of the sandstones that contain them, in some cases with calcareous and crossed stratification of the formation Sincelejo Miembro Morroa.

Keywords: hydrological, hydrogeological potential, geotomography, vertical electrical sounding (VES)

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Authors: C. Lanzerstorfer, M. Hinterberger

Abstract:

The iron content of the ore used is crucial for the productivity and coke consumption rate in blast furnace pig iron production. Therefore, most iron ore deposits are processed in beneficiation plants to increase the iron content and remove impurities. In several comminution stages, the particle size of the ore is reduced to ensure that the iron oxides are physically liberated from the gangue. Subsequently, physical separation processes are applied to concentrate the iron ore. The fine-grained ore concentrates produced need to be transported, stored, and processed. For smooth operation of these processes, the flow properties of the material are crucial. The flowability of powders depends on several properties of the material: grain size, grain size distribution, grain shape, and moisture content of the material. The flowability of powders can be measured using ring shear testers. In this study, the influence of the moisture content on the flowability for the Krivoy Rog magnetite iron ore concentrate was investigated. Dry iron ore concentrate was mixed with varying amounts of water to produce samples with a moisture content in the range of 0.2 to 12.2%. The flowability of the samples was investigated using a Schulze ring shear tester. At all measured values of the normal stress (1.0 kPa – 20 kPa), the flowability decreased significantly from dry ore to a moisture content of approximately 3-5%. At higher moisture contents, the flowability was nearly constant, while at the maximum moisture content the flowability improved for high values of the normal stress only. The results also showed an improving flowability with increasing consolidation stress for all moisture content levels investigated. The wall friction angle of the dust with carbon steel (S235JR), and an ultra-high molecule low-pressure polyethylene (Robalon) was also investigated. The wall friction angle increased significantly from dry ore to a moisture content of approximately 3%. For higher moisture content levels, the wall friction angles were nearly constant. Generally, the wall friction angle was approximately 4° lower at the higher wall normal stress.

Keywords: iron ore concentrate, flowability, moisture content, wall friction angle

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Authors: K. D. Chandrasekhar, H. C. Wu, D. J. Hsieh, B. J. Song, J. -Y. Lin, J. L. Her, L. Z. Deng, M. Gooch, C. W. Chu, H. D. Yang

Abstract:

Stress-mediated coupling of electrical and magnetic dipoles in a single phase multiferroic is rare. Pb₂MnO₄ belong to multi-piezo crystal class with the space group P⁻42₁

Keywords: multiferroic, multipiezo, Pb₂MnO₄, spin-flip

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